1,3-dibutyl-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dibutyl-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-1,3-dibutyl-7H-purine-2,6-dione CAS Name: 1,3-dibutyl-8-[1-(phenylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-1,3-dibutyl-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-1,3-dibutyl-7H-purine-2,6-quinone Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N6O2/c1-3-5-12-28-21-19(22(30)29(23(28)31)13-6-4-2)25-20(26-21)18-14-24-27(16-18)15-17-10-8-7-9-11-17/h7-11,14,16H,3-6,12-13,15H2,1-2H3,(H,25,26)